Phellinine
TL;DR: Phellinine (CAS 82463-44-3) is a chemical compound with molecular formula C19H23NO5 and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,17S,19R,20S,21R)-20-methoxy-5,7,18-trioxa-14-azahexacyclo[12.8.0.01,17.02,10.04,8.017,19]docosa-2,4(8),9-trien-21-ol
Also Known As: Phellinine, 5H-(1,3)Dioxolo(4,5-h)oxireno(3a,4)indolo(7a,1-a)(2)benzazepin-14-ol,2,3,6,7,13,14,15,15a-octahydro-15-methoxy-, (1aS,12bR,14R,15S,15aR)-, (1aS,12bR,14R,15S,15aR)-15-Methoxy-2,3,6,7,13,14,15,15a-octahydro-5H,10H-[1,3]dioxolo[4,5-h]oxireno[3a,4]indolo[7a,1-a][2]benzazepin-14-ol, 15-Methoxy-2,3,6,7,13,14,15,15a-octahydro-5H,10H-[1,3]dioxolo[4,5-h]oxireno[3a,4]indolo[7a,1-a][2]benzazepin-14-ol
| Molecular Formula | C19H23NO5 |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.15762 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 82463-44-3 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@]23C4=CC5=C(C=C4CCCN2CC[C@@]36[C@@H]1O6)OCO5)O |
| InChIKey | RGRKOPJLWKSSOO-WHJMJZORSA-N |
Product Overview
Phellinine (CAS 82463-44-3), with molecular formula C19H23NO5 and molecular weight 345.16 g/mol. IUPAC: (1R,17S,19R,20S,21R)-20-methoxy-5,7,18-trioxa-14-azahexacyclo[12.8.0.01,17.02,10.04,8.017,19]docosa-2,4(8),9-trien-21-ol.
Chemical Property Profile of Phellinine
Property Insights of Phellinine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phellinine. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phellinine. Following Lipinski's Rule of Five, Phellinine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phellinine?
The CAS number of Phellinine is 82463-44-3.
What is the molecular formula of Phellinine?
The molecular formula of Phellinine is C19H23NO5.
What is the molecular weight of Phellinine?
The molecular weight of Phellinine is 345.16 g/mol.
Where can I buy Phellinine?
You can request a quote for Phellinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phellinine?
Yes, KEHONG BIO provides custom synthesis services for Phellinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.